| SpectraBase Compound ID | KxPkwnmLiUU |
|---|---|
| InChI | InChI=1S/C9H14O6/c1-4(10)15-3-5-2-6(11)8(13)9(14)7(5)12/h2,6-9,11-14H,3H2,1H3/t6-,7-,8-,9-/m0/s1 |
| InChIKey | QBVXDOMUJIZMRX-JBDRJPRFSA-N |
| Mol Weight | 218.2 g/mol |
| Molecular Formula | C9H14O6 |
| Exact Mass | 218.079038 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A94NktHiirB |
|---|---|
| Name | Gabosine K |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H14O6 |
| InChI | InChI=1S/C9H14O6/c1-4(10)15-3-5-2-6(11)8(13)9(14)7(5)12/h2,6-9,11-14H,3H2,1H3/t6-,7-,8-,9-/m0/s1 |
| InChIKey | QBVXDOMUJIZMRX-JBDRJPRFSA-N |
| Molecular Weight | 218.205 g/mol |
| SMILES | O[C@]1(C=C([C@@]([C@@]([C@]1(O)[H])(O)[H])(O)[H])COC(=O)C)[H] |
| SPLASH | splash10-0002-9700000000-2ad784742be6eae4a14f |
| Source of Spectrum | U-1993-248-11 |
| Synonyms | (3,4,5,6-tetrahydroxy-1-cyclohexen-1-yl)methyl acetate 5-Acetoxymethyl-5-cyclohexene-1,2,3,4-tetrol Acetic acid (3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-cyclohex-1-enylmethyl ester Acetic acid [(3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-1-cyclohexenyl]methyl ester [(3S,4S,5S,6S)-3,4,5,6-tetrahydroxycyclohexen-1-yl]methyl acetate [(3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)cyclohexen-1-yl]methyl ethanoate |
| Wiley ID | 764701 |